Basic information
- CAS
19406-49-6- Standard SMILES
Nc1cc(C(F)(F)F)ccc1S- InChIKey
MVTRQRSNYWDWMY-UHFFFAOYSA-N- Molecular formula
- C7H6F3NS
- Average molar mass
- 193.19 g/mol
- Monoisotopic mass
- 193.01730485
Names & identifiers
- Preferred name
- 2-Amino-4-(trifluoromethyl)benzenethiol
- IUPAC
- 2-amino-4-(trifluoromethyl)benzenethiol
- English name
- 2-Amino-4-(trifluoromethyl)thiophenol3-amino-4-mercaptobenzotrifluoride
- Molecular formula
- C7H6F3NS
- Molecular weight
- 193.19
Names & synonyms
19406-49-62-Amino-4-(trifluoromethyl)benzenethiol2-amino-4-(trifluoromethyl)benzene-1-thiolBKR27A44U73-Amino-4-mercaptobenzotrifluorideEINECS 243-038-52-amino-4-trifluoromethylbenzenethiolDTXSID0057675NSC 277274Benzenethiol, 2-amino-4-(trifluoromethyl)-EC 429-560-83-Amino-4-mercaptobenzotrifluoride hydrochloride (Salt/Mix)
Show more names
3-AMINO-4-MERCAPTOBENZO TRIFLUORIDE4-(Trifluoromethyl)-2-aminobenzenethiol2-azanyl-4-(trifluoromethyl)benzenethiol
RefChem:85178DTXCID1031464243-038-5MVTRQRSNYWDWMY-UHFFFAOYSA-N2-Amino-4-(trifluoromethyl)thiophenolUNII-BKR27A44U72-AMINO-4-(TRIFLUOROMETHYL)THIOPHENOL3-AMINO-4-MERCAPTOBENZOTRIFLUORIDENSC277274
Database identifiers
- CAS
19406-49-6、4274-38-8- PubChem CID
- 88042
- DTXSID
DTXSID0057675- ChEMBL
CHEMBL3302619- UNII
- BKR27A44U7
- EC Number
- 243-038-5
- Nikkaji
- J242.804K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 196 · 196-198
- Boiling point
- 64 · 64-66 °C(Press: 0.5 Torr)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 7.18 · 7.18±0.11(Predicted)
- FDA UNII
- 27 A44U7 · BKR27A44U7
- Hazard Note
- Harmful
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
- hazard_note
- Harmful
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers19 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
19 records
Compound notes
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